![1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene structure](/static/products/869/86971-40-6.png)
1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene
TL;DR: 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene (CAS 86971-40-6) is a chemical compound with molecular formula C14H11NO4S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene
Also Known As: 1-nitro-3-[(2-phenylvinyl)sulfonyl]benzene, 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene, BAS 00095752, 1-(3-Nitrophenylsulfonyl)-2-phenylethylene, 1-Nitro-3-(2-phenyl-ethenesulfonyl)-benzene
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 86971-40-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | SBYUAIXSSFMSED-MDZDMXLPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene (CAS 86971-40-6), with molecular formula C14H11NO4S and molecular weight 289.04 g/mol. IUPAC: 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene.
Chemical Property Profile of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene
Property Insights of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene
The XLogP value of 3.0 indicates that 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene. Following Lipinski's Rule of Five, 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene?
The CAS number of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene is 86971-40-6.
What is the molecular formula of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene?
The molecular formula of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene is C14H11NO4S.
What is the molecular weight of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene?
The molecular weight of 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene is 289.04 g/mol.
Where can I buy 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene?
You can request a quote for 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-nitro-3-[(E)-2-phenylethenyl]sulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.